USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.486 K(o=1.1,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.66 K(o=1.1,f=-0.25) USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 0.175 USER MOD Set 2.2: A 57 SER OG : rot -85:sc= 1.29 USER MOD Set 3.1: A 22 THR OG1 : rot -58:sc= 0.142 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.615 K(o=0.76,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.27 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 1.21 K(o=1.2,f=-0.35) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.3 (180deg=1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.755 (180deg=-0.0015) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 2.45 (180deg=2.33) USER MOD Single : A 31 GLN : amide:sc= -0.595 K(o=-0.59,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= 0.9 K(o=0.9,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.362 USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= 1.19 (180deg=-0.156) USER MOD Single : A 65 SER OG : rot 64:sc= 1.58 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.891 52.152 19.894 1.00 0.00 N ATOM 2 CA MET A 1 33.308 52.438 21.276 1.00 0.00 C ATOM 3 C MET A 1 34.825 52.632 21.323 1.00 0.00 C ATOM 4 O MET A 1 35.547 52.100 20.483 1.00 0.00 O ATOM 5 CB MET A 1 32.836 51.372 22.261 1.00 0.00 C ATOM 6 CG MET A 1 33.433 49.986 22.041 1.00 0.00 C ATOM 7 SD MET A 1 32.922 48.747 23.257 1.00 0.00 S ATOM 8 CE MET A 1 34.001 47.375 22.778 1.00 0.00 C ATOM 0 H1 MET A 1 31.874 51.937 19.876 1.00 0.00 H new ATOM 0 H2 MET A 1 33.080 52.981 19.296 1.00 0.00 H new ATOM 0 H3 MET A 1 33.424 51.335 19.533 1.00 0.00 H new ATOM 0 HA MET A 1 32.826 53.363 21.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.078 51.700 23.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.750 51.298 22.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.154 49.638 21.047 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.520 50.066 22.057 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.816 46.522 23.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.795 47.094 21.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.043 47.682 22.870 1.00 0.00 H new ATOM 20 N GLN A 2 35.312 53.364 22.322 1.00 0.00 N ATOM 21 CA GLN A 2 36.728 53.510 22.592 1.00 0.00 C ATOM 22 C GLN A 2 37.190 52.579 23.714 1.00 0.00 C ATOM 23 O GLN A 2 36.449 52.342 24.665 1.00 0.00 O ATOM 24 CB GLN A 2 37.079 54.969 22.872 1.00 0.00 C ATOM 25 CG GLN A 2 36.966 55.817 21.607 1.00 0.00 C ATOM 26 CD GLN A 2 37.422 57.266 21.787 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.632 57.776 22.884 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.568 58.001 20.688 1.00 0.00 N ATOM 0 H GLN A 2 34.719 53.878 22.973 1.00 0.00 H new ATOM 0 HA GLN A 2 37.273 53.209 21.698 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.414 55.365 23.639 1.00 0.00 H new ATOM 0 HB3 GLN A 2 38.093 55.033 23.266 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.560 55.355 20.818 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.929 55.812 21.270 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.396 57.588 19.771 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.852 58.978 20.762 1.00 0.00 H new ATOM 37 N ILE A 3 38.420 52.085 23.609 1.00 0.00 N ATOM 38 CA ILE A 3 39.126 51.390 24.667 1.00 0.00 C ATOM 39 C ILE A 3 40.552 51.930 24.792 1.00 0.00 C ATOM 40 O ILE A 3 41.107 52.448 23.826 1.00 0.00 O ATOM 41 CB ILE A 3 39.100 49.873 24.500 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.772 49.405 23.213 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.677 49.337 24.623 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.881 47.890 23.068 1.00 0.00 C ATOM 0 H ILE A 3 38.967 52.163 22.752 1.00 0.00 H new ATOM 0 HA ILE A 3 38.599 51.589 25.600 1.00 0.00 H new ATOM 0 HB ILE A 3 39.692 49.455 25.314 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.214 49.799 22.363 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.773 49.834 23.164 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.684 48.254 24.500 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.277 49.588 25.605 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.051 49.785 23.851 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.371 47.649 22.125 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.466 47.487 23.894 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.884 47.451 23.081 1.00 0.00 H new ATOM 56 N PHE A 4 41.135 51.819 25.983 1.00 0.00 N ATOM 57 CA PHE A 4 42.391 52.461 26.318 1.00 0.00 C ATOM 58 C PHE A 4 43.468 51.428 26.657 1.00 0.00 C ATOM 59 O PHE A 4 43.269 50.579 27.524 1.00 0.00 O ATOM 60 CB PHE A 4 42.167 53.445 27.462 1.00 0.00 C ATOM 61 CG PHE A 4 40.973 54.354 27.303 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.791 55.096 26.129 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.017 54.439 28.323 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.656 55.898 25.967 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.891 55.258 28.173 1.00 0.00 C ATOM 66 CZ PHE A 4 38.704 55.985 26.990 1.00 0.00 C ATOM 0 H PHE A 4 40.739 51.273 26.748 1.00 0.00 H new ATOM 0 HA PHE A 4 42.753 53.014 25.452 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.054 52.881 28.388 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.060 54.060 27.571 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.531 55.049 25.344 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.149 53.869 29.231 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.514 56.451 25.050 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.166 55.329 28.970 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.831 56.609 26.868 1.00 0.00 H new ATOM 76 N VAL A 5 44.618 51.509 25.996 1.00 0.00 N ATOM 77 CA VAL A 5 45.739 50.608 26.171 1.00 0.00 C ATOM 78 C VAL A 5 46.870 51.330 26.908 1.00 0.00 C ATOM 79 O VAL A 5 47.453 52.274 26.381 1.00 0.00 O ATOM 80 CB VAL A 5 46.210 50.046 24.832 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.367 49.067 25.011 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.095 49.299 24.106 1.00 0.00 C ATOM 0 H VAL A 5 44.796 52.232 25.299 1.00 0.00 H new ATOM 0 HA VAL A 5 45.419 49.759 26.775 1.00 0.00 H new ATOM 0 HB VAL A 5 46.528 50.908 24.246 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.676 48.687 24.037 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.206 49.578 25.484 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.047 48.236 25.640 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.472 48.915 23.158 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.752 48.469 24.723 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.264 49.979 23.918 1.00 0.00 H new ATOM 92 N LYS A 6 47.166 50.872 28.122 1.00 0.00 N ATOM 93 CA LYS A 6 48.264 51.335 28.947 1.00 0.00 C ATOM 94 C LYS A 6 49.564 50.600 28.611 1.00 0.00 C ATOM 95 O LYS A 6 49.530 49.468 28.136 1.00 0.00 O ATOM 96 CB LYS A 6 47.907 51.196 30.424 1.00 0.00 C ATOM 97 CG LYS A 6 46.785 52.145 30.834 1.00 0.00 C ATOM 98 CD LYS A 6 46.569 52.092 32.344 1.00 0.00 C ATOM 99 CE LYS A 6 45.427 53.023 32.742 1.00 0.00 C ATOM 100 NZ LYS A 6 45.249 53.050 34.202 1.00 0.00 N ATOM 0 H LYS A 6 46.620 50.137 28.571 1.00 0.00 H new ATOM 0 HA LYS A 6 48.433 52.391 28.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.605 50.169 30.629 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.790 51.396 31.031 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.032 53.163 30.531 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.864 51.873 30.319 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.341 51.071 32.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.483 52.383 32.861 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.632 54.030 32.379 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.503 52.694 32.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.466 53.691 34.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.031 52.092 34.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.124 53.387 34.652 1.00 0.00 H new ATOM 168 N LYS A 11 52.707 55.819 28.643 1.00 0.00 N ATOM 169 CA LYS A 11 52.003 56.274 27.460 1.00 0.00 C ATOM 170 C LYS A 11 50.702 55.485 27.298 1.00 0.00 C ATOM 171 O LYS A 11 50.712 54.268 27.473 1.00 0.00 O ATOM 172 CB LYS A 11 52.911 56.135 26.241 1.00 0.00 C ATOM 173 CG LYS A 11 52.343 56.838 25.011 1.00 0.00 C ATOM 174 CD LYS A 11 53.246 56.658 23.794 1.00 0.00 C ATOM 175 CE LYS A 11 52.715 57.511 22.645 1.00 0.00 C ATOM 176 NZ LYS A 11 53.458 57.273 21.398 1.00 0.00 N ATOM 0 HA LYS A 11 51.740 57.327 27.561 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.892 56.550 26.473 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.056 55.078 26.018 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.351 56.443 24.791 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.223 57.901 25.222 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.267 56.950 24.038 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.276 55.609 23.500 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.659 57.291 22.487 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.784 58.565 22.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.487 58.149 20.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.428 56.974 21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.985 56.527 20.849 1.00 0.00 H new ATOM 190 N THR A 12 49.604 56.141 26.934 1.00 0.00 N ATOM 191 CA THR A 12 48.301 55.518 26.816 1.00 0.00 C ATOM 192 C THR A 12 47.718 55.749 25.421 1.00 0.00 C ATOM 193 O THR A 12 47.616 56.882 24.955 1.00 0.00 O ATOM 194 CB THR A 12 47.338 55.980 27.906 1.00 0.00 C ATOM 195 OG1 THR A 12 47.973 55.935 29.165 1.00 0.00 O ATOM 196 CG2 THR A 12 46.097 55.100 28.014 1.00 0.00 C ATOM 0 H THR A 12 49.601 57.136 26.710 1.00 0.00 H new ATOM 0 HA THR A 12 48.438 54.446 26.957 1.00 0.00 H new ATOM 0 HB THR A 12 47.041 56.992 27.630 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.348 56.235 29.858 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.450 55.478 28.806 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.557 55.114 27.067 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.395 54.078 28.246 1.00 0.00 H new ATOM 204 N ILE A 13 47.335 54.668 24.747 1.00 0.00 N ATOM 205 CA ILE A 13 46.877 54.650 23.373 1.00 0.00 C ATOM 206 C ILE A 13 45.369 54.397 23.350 1.00 0.00 C ATOM 207 O ILE A 13 44.892 53.443 23.962 1.00 0.00 O ATOM 208 CB ILE A 13 47.669 53.637 22.551 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.154 53.975 22.458 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.118 53.558 21.130 1.00 0.00 C ATOM 211 CD1 ILE A 13 50.029 53.420 23.579 1.00 0.00 C ATOM 0 H ILE A 13 47.338 53.740 25.170 1.00 0.00 H new ATOM 0 HA ILE A 13 47.056 55.618 22.905 1.00 0.00 H new ATOM 0 HB ILE A 13 47.562 52.684 23.069 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.534 53.603 21.507 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.261 55.060 22.441 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.693 52.831 20.556 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.073 53.250 21.162 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.194 54.536 20.656 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.064 53.719 23.415 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.686 53.812 24.536 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.963 52.332 23.587 1.00 0.00 H new ATOM 223 N THR A 14 44.613 55.230 22.640 1.00 0.00 N ATOM 224 CA THR A 14 43.183 55.060 22.478 1.00 0.00 C ATOM 225 C THR A 14 42.875 54.369 21.149 1.00 0.00 C ATOM 226 O THR A 14 43.352 54.806 20.104 1.00 0.00 O ATOM 227 CB THR A 14 42.443 56.390 22.596 1.00 0.00 C ATOM 228 OG1 THR A 14 42.695 56.974 23.854 1.00 0.00 O ATOM 229 CG2 THR A 14 40.930 56.232 22.483 1.00 0.00 C ATOM 0 H THR A 14 44.985 56.048 22.158 1.00 0.00 H new ATOM 0 HA THR A 14 42.826 54.422 23.286 1.00 0.00 H new ATOM 0 HB THR A 14 42.806 57.010 21.776 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.218 57.827 23.920 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.454 57.209 22.574 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.681 55.796 21.516 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.572 55.579 23.279 1.00 0.00 H new ATOM 237 N LEU A 15 42.059 53.318 21.175 1.00 0.00 N ATOM 238 CA LEU A 15 41.620 52.564 20.018 1.00 0.00 C ATOM 239 C LEU A 15 40.121 52.740 19.768 1.00 0.00 C ATOM 240 O LEU A 15 39.351 52.863 20.718 1.00 0.00 O ATOM 241 CB LEU A 15 41.942 51.082 20.194 1.00 0.00 C ATOM 242 CG LEU A 15 43.380 50.736 20.567 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.499 49.219 20.682 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.405 51.227 19.547 1.00 0.00 C ATOM 0 H LEU A 15 41.672 52.957 22.047 1.00 0.00 H new ATOM 0 HA LEU A 15 42.158 52.951 19.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.284 50.679 20.964 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.698 50.567 19.265 1.00 0.00 H new ATOM 0 HG LEU A 15 43.598 51.238 21.510 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.522 48.953 20.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.818 48.858 21.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.242 48.760 19.727 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.406 50.947 19.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.200 50.773 18.578 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.341 52.312 19.460 1.00 0.00 H new ATOM 256 N GLU A 16 39.710 52.677 18.506 1.00 0.00 N ATOM 257 CA GLU A 16 38.328 52.693 18.070 1.00 0.00 C ATOM 258 C GLU A 16 37.908 51.291 17.622 1.00 0.00 C ATOM 259 O GLU A 16 38.478 50.740 16.682 1.00 0.00 O ATOM 260 CB GLU A 16 38.162 53.676 16.915 1.00 0.00 C ATOM 261 CG GLU A 16 38.161 55.139 17.350 1.00 0.00 C ATOM 262 CD GLU A 16 36.809 55.658 17.844 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.779 54.957 17.756 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.771 56.829 18.280 1.00 0.00 O ATOM 0 H GLU A 16 40.366 52.610 17.727 1.00 0.00 H new ATOM 0 HA GLU A 16 37.695 53.007 18.900 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.968 53.520 16.198 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.228 53.460 16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.897 55.268 18.144 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.486 55.754 16.511 1.00 0.00 H new ATOM 271 N VAL A 17 36.927 50.696 18.294 1.00 0.00 N ATOM 272 CA VAL A 17 36.486 49.334 18.070 1.00 0.00 C ATOM 273 C VAL A 17 34.967 49.202 18.203 1.00 0.00 C ATOM 274 O VAL A 17 34.319 49.954 18.927 1.00 0.00 O ATOM 275 CB VAL A 17 37.181 48.364 19.022 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.670 48.224 18.721 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.015 48.744 20.490 1.00 0.00 C ATOM 0 H VAL A 17 36.404 51.168 19.032 1.00 0.00 H new ATOM 0 HA VAL A 17 36.761 49.076 17.047 1.00 0.00 H new ATOM 0 HB VAL A 17 36.685 47.409 18.852 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.119 47.524 19.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.802 47.852 17.705 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.154 49.196 18.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.532 48.016 21.115 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.439 49.734 20.660 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.955 48.755 20.746 1.00 0.00 H new ATOM 287 N GLU A 18 34.394 48.200 17.542 1.00 0.00 N ATOM 288 CA GLU A 18 33.091 47.658 17.874 1.00 0.00 C ATOM 289 C GLU A 18 33.273 46.396 18.720 1.00 0.00 C ATOM 290 O GLU A 18 34.318 45.755 18.629 1.00 0.00 O ATOM 291 CB GLU A 18 32.307 47.345 16.604 1.00 0.00 C ATOM 292 CG GLU A 18 31.952 48.562 15.754 1.00 0.00 C ATOM 293 CD GLU A 18 31.041 49.585 16.434 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.958 50.728 15.935 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.367 49.263 17.436 1.00 0.00 O ATOM 0 H GLU A 18 34.835 47.737 16.747 1.00 0.00 H new ATOM 0 HA GLU A 18 32.526 48.394 18.445 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.889 46.652 15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.386 46.831 16.880 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.875 49.061 15.458 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.468 48.219 14.840 1.00 0.00 H new ATOM 302 N PRO A 19 32.289 45.960 19.499 1.00 0.00 N ATOM 303 CA PRO A 19 32.357 44.692 20.197 1.00 0.00 C ATOM 304 C PRO A 19 32.582 43.465 19.311 1.00 0.00 C ATOM 305 O PRO A 19 32.958 42.412 19.820 1.00 0.00 O ATOM 306 CB PRO A 19 31.049 44.587 20.978 1.00 0.00 C ATOM 307 CG PRO A 19 30.620 46.038 21.170 1.00 0.00 C ATOM 308 CD PRO A 19 31.120 46.718 19.899 1.00 0.00 C ATOM 0 HA PRO A 19 33.239 44.687 20.837 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.300 44.018 20.428 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.193 44.083 21.934 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.539 46.128 21.277 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.066 46.475 22.063 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.358 46.707 19.120 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.372 47.762 20.084 1.00 0.00 H new ATOM 316 N SER A 20 32.382 43.585 18.002 1.00 0.00 N ATOM 317 CA SER A 20 32.671 42.578 17.001 1.00 0.00 C ATOM 318 C SER A 20 34.135 42.480 16.565 1.00 0.00 C ATOM 319 O SER A 20 34.468 41.525 15.867 1.00 0.00 O ATOM 320 CB SER A 20 31.793 42.819 15.778 1.00 0.00 C ATOM 321 OG SER A 20 32.031 44.098 15.233 1.00 0.00 O ATOM 0 H SER A 20 31.993 44.435 17.595 1.00 0.00 H new ATOM 0 HA SER A 20 32.452 41.624 17.480 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.992 42.056 15.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.743 42.727 16.055 1.00 0.00 H new ATOM 0 HG SER A 20 31.459 44.231 14.449 1.00 0.00 H new ATOM 327 N ASP A 21 34.993 43.431 16.924 1.00 0.00 N ATOM 328 CA ASP A 21 36.406 43.394 16.600 1.00 0.00 C ATOM 329 C ASP A 21 37.111 42.219 17.280 1.00 0.00 C ATOM 330 O ASP A 21 36.750 41.808 18.380 1.00 0.00 O ATOM 331 CB ASP A 21 37.105 44.693 16.990 1.00 0.00 C ATOM 332 CG ASP A 21 36.925 45.834 15.986 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.815 46.398 15.871 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.897 46.204 15.292 1.00 0.00 O ATOM 0 H ASP A 21 34.718 44.257 17.455 1.00 0.00 H new ATOM 0 HA ASP A 21 36.471 43.267 15.519 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.729 45.017 17.960 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.170 44.496 17.111 1.00 0.00 H new ATOM 339 N THR A 22 38.154 41.698 16.640 1.00 0.00 N ATOM 340 CA THR A 22 39.021 40.682 17.199 1.00 0.00 C ATOM 341 C THR A 22 40.266 41.258 17.878 1.00 0.00 C ATOM 342 O THR A 22 40.640 42.413 17.685 1.00 0.00 O ATOM 343 CB THR A 22 39.453 39.651 16.159 1.00 0.00 C ATOM 344 OG1 THR A 22 40.138 40.277 15.097 1.00 0.00 O ATOM 345 CG2 THR A 22 38.260 38.876 15.607 1.00 0.00 C ATOM 0 H THR A 22 38.420 41.981 15.697 1.00 0.00 H new ATOM 0 HA THR A 22 38.414 40.191 17.960 1.00 0.00 H new ATOM 0 HB THR A 22 40.119 38.947 16.658 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.557 40.951 14.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.606 38.152 14.870 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.757 38.353 16.421 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.563 39.569 15.135 1.00 0.00 H new ATOM 353 N ILE A 23 40.981 40.408 18.608 1.00 0.00 N ATOM 354 CA ILE A 23 42.305 40.721 19.108 1.00 0.00 C ATOM 355 C ILE A 23 43.307 40.936 17.972 1.00 0.00 C ATOM 356 O ILE A 23 44.215 41.750 18.119 1.00 0.00 O ATOM 357 CB ILE A 23 42.715 39.661 20.127 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.729 39.510 21.282 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.114 39.912 20.679 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.366 40.791 22.029 1.00 0.00 C ATOM 0 H ILE A 23 40.652 39.478 18.868 1.00 0.00 H new ATOM 0 HA ILE A 23 42.292 41.678 19.630 1.00 0.00 H new ATOM 0 HB ILE A 23 42.712 38.724 19.571 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.811 39.068 20.894 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.146 38.802 21.998 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.365 39.134 21.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.836 39.896 19.862 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.142 40.885 21.170 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.660 40.560 22.826 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.267 41.230 22.458 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.912 41.500 21.337 1.00 0.00 H new ATOM 372 N GLU A 24 43.112 40.348 16.795 1.00 0.00 N ATOM 373 CA GLU A 24 43.848 40.701 15.597 1.00 0.00 C ATOM 374 C GLU A 24 43.525 42.095 15.054 1.00 0.00 C ATOM 375 O GLU A 24 44.438 42.777 14.595 1.00 0.00 O ATOM 376 CB GLU A 24 43.634 39.656 14.506 1.00 0.00 C ATOM 377 CG GLU A 24 44.715 38.577 14.501 1.00 0.00 C ATOM 378 CD GLU A 24 46.004 39.061 13.835 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.303 38.654 12.692 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.749 39.858 14.445 1.00 0.00 O ATOM 0 H GLU A 24 42.429 39.605 16.650 1.00 0.00 H new ATOM 0 HA GLU A 24 44.897 40.722 15.894 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.660 39.187 14.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.615 40.150 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.928 38.273 15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.345 37.696 13.977 1.00 0.00 H new ATOM 387 N ASN A 25 42.284 42.560 15.159 1.00 0.00 N ATOM 388 CA ASN A 25 41.953 43.942 14.875 1.00 0.00 C ATOM 389 C ASN A 25 42.619 44.881 15.883 1.00 0.00 C ATOM 390 O ASN A 25 43.178 45.900 15.482 1.00 0.00 O ATOM 391 CB ASN A 25 40.448 44.188 14.831 1.00 0.00 C ATOM 392 CG ASN A 25 39.702 43.527 13.670 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.756 42.762 13.851 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.074 43.849 12.435 1.00 0.00 N ATOM 0 H ASN A 25 41.488 41.989 15.442 1.00 0.00 H new ATOM 0 HA ASN A 25 42.342 44.157 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.013 43.835 15.766 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.275 45.263 14.785 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.575 43.461 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.859 44.484 12.288 1.00 0.00 H new ATOM 401 N VAL A 26 42.636 44.534 17.166 1.00 0.00 N ATOM 402 CA VAL A 26 43.353 45.277 18.183 1.00 0.00 C ATOM 403 C VAL A 26 44.845 45.359 17.855 1.00 0.00 C ATOM 404 O VAL A 26 45.383 46.463 17.840 1.00 0.00 O ATOM 405 CB VAL A 26 43.104 44.711 19.578 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.980 45.347 20.654 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.653 44.925 19.999 1.00 0.00 C ATOM 0 H VAL A 26 42.144 43.717 17.528 1.00 0.00 H new ATOM 0 HA VAL A 26 42.964 46.295 18.185 1.00 0.00 H new ATOM 0 HB VAL A 26 43.348 43.651 19.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.752 44.899 21.621 1.00 0.00 H new ATOM 0 HG12 VAL A 26 45.030 45.179 20.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.785 46.419 20.696 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.499 44.513 20.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.430 45.992 20.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.991 44.423 19.293 1.00 0.00 H new ATOM 417 N LYS A 27 45.492 44.253 17.500 1.00 0.00 N ATOM 418 CA LYS A 27 46.885 44.247 17.101 1.00 0.00 C ATOM 419 C LYS A 27 47.146 45.122 15.873 1.00 0.00 C ATOM 420 O LYS A 27 48.120 45.871 15.874 1.00 0.00 O ATOM 421 CB LYS A 27 47.393 42.825 16.878 1.00 0.00 C ATOM 422 CG LYS A 27 47.747 42.111 18.180 1.00 0.00 C ATOM 423 CD LYS A 27 48.350 40.738 17.900 1.00 0.00 C ATOM 424 CE LYS A 27 48.994 40.149 19.151 1.00 0.00 C ATOM 425 NZ LYS A 27 49.518 38.798 18.890 1.00 0.00 N ATOM 0 H LYS A 27 45.056 43.331 17.483 1.00 0.00 H new ATOM 0 HA LYS A 27 47.447 44.683 17.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.632 42.251 16.350 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.273 42.855 16.235 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.454 42.714 18.750 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.853 42.002 18.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.573 40.065 17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.096 40.820 17.109 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.803 40.798 19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.261 40.109 19.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.462 38.230 19.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.953 38.345 18.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.509 38.864 18.582 1.00 0.00 H new ATOM 439 N ALA A 28 46.283 45.075 14.862 1.00 0.00 N ATOM 440 CA ALA A 28 46.410 45.894 13.673 1.00 0.00 C ATOM 441 C ALA A 28 46.229 47.384 13.971 1.00 0.00 C ATOM 442 O ALA A 28 46.934 48.217 13.405 1.00 0.00 O ATOM 443 CB ALA A 28 45.399 45.420 12.634 1.00 0.00 C ATOM 0 H ALA A 28 45.470 44.459 14.851 1.00 0.00 H new ATOM 0 HA ALA A 28 47.422 45.780 13.284 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.487 46.031 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.595 44.377 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.391 45.513 13.038 1.00 0.00 H new ATOM 449 N LYS A 29 45.326 47.729 14.883 1.00 0.00 N ATOM 450 CA LYS A 29 45.039 49.090 15.289 1.00 0.00 C ATOM 451 C LYS A 29 46.150 49.688 16.154 1.00 0.00 C ATOM 452 O LYS A 29 46.520 50.840 15.937 1.00 0.00 O ATOM 453 CB LYS A 29 43.667 49.132 15.955 1.00 0.00 C ATOM 454 CG LYS A 29 42.568 49.022 14.901 1.00 0.00 C ATOM 455 CD LYS A 29 41.172 48.828 15.487 1.00 0.00 C ATOM 456 CE LYS A 29 40.180 48.887 14.329 1.00 0.00 C ATOM 457 NZ LYS A 29 38.781 48.765 14.766 1.00 0.00 N ATOM 0 H LYS A 29 44.756 47.040 15.374 1.00 0.00 H new ATOM 0 HA LYS A 29 45.008 49.728 14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.577 48.316 16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.554 50.061 16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.573 49.924 14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.794 48.186 14.239 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.102 47.871 16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.952 49.604 16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.308 49.829 13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.406 48.088 13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.154 49.171 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.546 47.761 14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.651 49.276 15.662 1.00 0.00 H new ATOM 471 N ILE A 30 46.746 48.905 17.048 1.00 0.00 N ATOM 472 CA ILE A 30 47.941 49.254 17.789 1.00 0.00 C ATOM 473 C ILE A 30 49.145 49.384 16.851 1.00 0.00 C ATOM 474 O ILE A 30 49.912 50.334 16.984 1.00 0.00 O ATOM 475 CB ILE A 30 48.198 48.249 18.907 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.101 48.342 19.965 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.558 48.459 19.567 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.117 47.205 20.984 1.00 0.00 C ATOM 0 H ILE A 30 46.392 47.977 17.281 1.00 0.00 H new ATOM 0 HA ILE A 30 47.786 50.227 18.255 1.00 0.00 H new ATOM 0 HB ILE A 30 48.193 47.258 18.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.201 49.290 20.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.131 48.355 19.467 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.697 47.721 20.357 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.345 48.346 18.822 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.604 49.461 19.994 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.307 47.346 21.699 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.985 46.253 20.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.071 47.203 21.512 1.00 0.00 H new ATOM 490 N GLN A 31 49.289 48.504 15.865 1.00 0.00 N ATOM 491 CA GLN A 31 50.329 48.593 14.860 1.00 0.00 C ATOM 492 C GLN A 31 50.248 49.906 14.077 1.00 0.00 C ATOM 493 O GLN A 31 51.286 50.509 13.816 1.00 0.00 O ATOM 494 CB GLN A 31 50.250 47.365 13.957 1.00 0.00 C ATOM 495 CG GLN A 31 51.325 47.307 12.874 1.00 0.00 C ATOM 496 CD GLN A 31 51.211 46.047 12.013 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.244 45.291 12.069 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.219 45.760 11.194 1.00 0.00 N ATOM 0 H GLN A 31 48.674 47.699 15.745 1.00 0.00 H new ATOM 0 HA GLN A 31 51.305 48.603 15.346 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.325 46.470 14.574 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.270 47.342 13.480 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.245 48.188 12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.310 47.339 13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.026 46.382 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.185 44.918 10.619 1.00 0.00 H new ATOM 507 N ASP A 32 49.053 50.397 13.759 1.00 0.00 N ATOM 508 CA ASP A 32 48.884 51.699 13.147 1.00 0.00 C ATOM 509 C ASP A 32 49.192 52.869 14.081 1.00 0.00 C ATOM 510 O ASP A 32 49.738 53.874 13.630 1.00 0.00 O ATOM 511 CB ASP A 32 47.472 51.825 12.579 1.00 0.00 C ATOM 512 CG ASP A 32 47.367 53.022 11.634 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.954 52.959 10.532 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.727 54.036 11.988 1.00 0.00 O ATOM 0 H ASP A 32 48.178 49.898 13.921 1.00 0.00 H new ATOM 0 HA ASP A 32 49.619 51.761 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.208 50.912 12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.757 51.937 13.394 1.00 0.00 H new ATOM 519 N LYS A 33 48.850 52.767 15.362 1.00 0.00 N ATOM 520 CA LYS A 33 49.050 53.798 16.361 1.00 0.00 C ATOM 521 C LYS A 33 50.495 53.936 16.844 1.00 0.00 C ATOM 522 O LYS A 33 50.891 55.044 17.201 1.00 0.00 O ATOM 523 CB LYS A 33 48.123 53.547 17.546 1.00 0.00 C ATOM 524 CG LYS A 33 46.640 53.768 17.264 1.00 0.00 C ATOM 525 CD LYS A 33 46.191 55.217 17.439 1.00 0.00 C ATOM 526 CE LYS A 33 44.702 55.325 17.123 1.00 0.00 C ATOM 527 NZ LYS A 33 44.206 56.702 17.271 1.00 0.00 N ATOM 0 H LYS A 33 48.409 51.929 15.742 1.00 0.00 H new ATOM 0 HA LYS A 33 48.811 54.744 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.263 52.521 17.887 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.422 54.199 18.366 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.422 53.450 16.245 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.054 53.133 17.928 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.383 55.549 18.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.763 55.869 16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.522 54.982 16.104 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.142 54.665 17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.191 56.731 17.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.354 57.021 18.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.722 57.329 16.621 1.00 0.00 H new ATOM 541 N GLU A 34 51.265 52.854 16.909 1.00 0.00 N ATOM 542 CA GLU A 34 52.573 52.798 17.531 1.00 0.00 C ATOM 543 C GLU A 34 53.693 52.247 16.648 1.00 0.00 C ATOM 544 O GLU A 34 54.856 52.338 17.036 1.00 0.00 O ATOM 545 CB GLU A 34 52.478 51.961 18.803 1.00 0.00 C ATOM 546 CG GLU A 34 51.877 52.709 19.990 1.00 0.00 C ATOM 547 CD GLU A 34 52.762 53.863 20.466 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.999 53.703 20.570 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.228 54.960 20.735 1.00 0.00 O ATOM 0 H GLU A 34 50.978 51.959 16.512 1.00 0.00 H new ATOM 0 HA GLU A 34 52.849 53.832 17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.875 51.076 18.600 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.475 51.612 19.072 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.897 53.098 19.712 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.721 52.012 20.813 1.00 0.00 H new ATOM 556 N GLY A 35 53.398 51.650 15.496 1.00 0.00 N ATOM 557 CA GLY A 35 54.408 51.080 14.628 1.00 0.00 C ATOM 558 C GLY A 35 55.008 49.755 15.105 1.00 0.00 C ATOM 559 O GLY A 35 56.070 49.374 14.620 1.00 0.00 O ATOM 0 H GLY A 35 52.446 51.551 15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.971 50.928 13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.214 51.804 14.512 1.00 0.00 H new ATOM 563 N ILE A 36 54.361 49.065 16.040 1.00 0.00 N ATOM 564 CA ILE A 36 54.812 47.818 16.624 1.00 0.00 C ATOM 565 C ILE A 36 54.153 46.628 15.923 1.00 0.00 C ATOM 566 O ILE A 36 52.928 46.526 15.967 1.00 0.00 O ATOM 567 CB ILE A 36 54.561 47.794 18.129 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.239 48.943 18.871 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.994 46.465 18.740 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.760 49.025 18.771 1.00 0.00 C ATOM 0 H ILE A 36 53.470 49.379 16.424 1.00 0.00 H new ATOM 0 HA ILE A 36 55.889 47.738 16.475 1.00 0.00 H new ATOM 0 HB ILE A 36 53.485 47.918 18.249 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.823 49.880 18.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.971 48.871 19.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.803 46.478 19.813 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.430 45.653 18.281 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.059 46.313 18.563 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.116 49.883 19.341 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.201 48.113 19.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.050 49.137 17.726 1.00 0.00 H new ATOM 582 N PRO A 37 54.899 45.713 15.312 1.00 0.00 N ATOM 583 CA PRO A 37 54.380 44.534 14.648 1.00 0.00 C ATOM 584 C PRO A 37 53.537 43.609 15.527 1.00 0.00 C ATOM 585 O PRO A 37 53.804 43.532 16.724 1.00 0.00 O ATOM 586 CB PRO A 37 55.596 43.774 14.127 1.00 0.00 C ATOM 587 CG PRO A 37 56.619 44.880 13.887 1.00 0.00 C ATOM 588 CD PRO A 37 56.316 45.838 15.036 1.00 0.00 C ATOM 0 HA PRO A 37 53.696 44.862 13.865 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.955 43.043 14.851 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.369 43.229 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.642 44.506 13.925 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.489 45.354 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.907 45.587 15.917 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.570 46.863 14.764 1.00 0.00 H new ATOM 596 N PRO A 38 52.595 42.853 14.971 1.00 0.00 N ATOM 597 CA PRO A 38 51.719 41.977 15.724 1.00 0.00 C ATOM 598 C PRO A 38 52.428 40.997 16.662 1.00 0.00 C ATOM 599 O PRO A 38 51.995 40.845 17.802 1.00 0.00 O ATOM 600 CB PRO A 38 50.881 41.241 14.684 1.00 0.00 C ATOM 601 CG PRO A 38 50.795 42.248 13.539 1.00 0.00 C ATOM 602 CD PRO A 38 52.179 42.889 13.584 1.00 0.00 C ATOM 0 HA PRO A 38 51.118 42.578 16.406 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.354 40.311 14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.895 40.983 15.069 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.599 41.764 12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.001 42.978 13.695 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.881 42.344 12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.146 43.914 13.214 1.00 0.00 H new ATOM 610 N ASP A 39 53.542 40.401 16.249 1.00 0.00 N ATOM 611 CA ASP A 39 54.268 39.449 17.063 1.00 0.00 C ATOM 612 C ASP A 39 54.967 40.074 18.272 1.00 0.00 C ATOM 613 O ASP A 39 55.205 39.402 19.273 1.00 0.00 O ATOM 614 CB ASP A 39 55.243 38.630 16.222 1.00 0.00 C ATOM 615 CG ASP A 39 56.552 39.338 15.863 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.592 40.068 14.849 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.569 39.131 16.560 1.00 0.00 O ATOM 0 H ASP A 39 53.963 40.570 15.336 1.00 0.00 H new ATOM 0 HA ASP A 39 53.514 38.777 17.473 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.481 37.713 16.761 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.743 38.336 15.299 1.00 0.00 H new ATOM 622 N GLN A 40 55.276 41.366 18.204 1.00 0.00 N ATOM 623 CA GLN A 40 55.963 42.098 19.250 1.00 0.00 C ATOM 624 C GLN A 40 55.020 42.591 20.348 1.00 0.00 C ATOM 625 O GLN A 40 55.487 43.054 21.387 1.00 0.00 O ATOM 626 CB GLN A 40 56.770 43.238 18.637 1.00 0.00 C ATOM 627 CG GLN A 40 57.873 42.733 17.711 1.00 0.00 C ATOM 628 CD GLN A 40 58.722 43.850 17.100 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.697 45.008 17.509 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.504 43.533 16.071 1.00 0.00 N ATOM 0 H GLN A 40 55.047 41.943 17.395 1.00 0.00 H new ATOM 0 HA GLN A 40 56.648 41.409 19.744 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.102 43.894 18.079 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.213 43.836 19.433 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.523 42.058 18.268 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.422 42.150 16.908 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.529 42.573 15.726 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.078 44.250 15.627 1.00 0.00 H new ATOM 639 N GLN A 41 53.712 42.469 20.144 1.00 0.00 N ATOM 640 CA GLN A 41 52.682 42.865 21.084 1.00 0.00 C ATOM 641 C GLN A 41 52.227 41.668 21.921 1.00 0.00 C ATOM 642 O GLN A 41 51.765 40.675 21.363 1.00 0.00 O ATOM 643 CB GLN A 41 51.486 43.447 20.337 1.00 0.00 C ATOM 644 CG GLN A 41 51.778 44.662 19.461 1.00 0.00 C ATOM 645 CD GLN A 41 50.526 45.132 18.718 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.416 45.080 19.242 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.632 45.608 17.480 1.00 0.00 N ATOM 0 H GLN A 41 53.331 42.075 19.284 1.00 0.00 H new ATOM 0 HA GLN A 41 53.099 43.622 21.748 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.058 42.665 19.710 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.725 43.723 21.067 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.162 45.474 20.079 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.558 44.414 18.741 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.546 45.658 17.029 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.800 45.923 16.982 1.00 0.00 H new ATOM 656 N ARG A 42 52.294 41.769 23.245 1.00 0.00 N ATOM 657 CA ARG A 42 51.629 40.874 24.170 1.00 0.00 C ATOM 658 C ARG A 42 50.500 41.621 24.883 1.00 0.00 C ATOM 659 O ARG A 42 50.746 42.594 25.593 1.00 0.00 O ATOM 660 CB ARG A 42 52.635 40.243 25.128 1.00 0.00 C ATOM 661 CG ARG A 42 51.966 39.225 26.048 1.00 0.00 C ATOM 662 CD ARG A 42 52.977 38.586 26.995 1.00 0.00 C ATOM 663 NE ARG A 42 52.378 37.510 27.784 1.00 0.00 N ATOM 664 CZ ARG A 42 52.246 36.229 27.412 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.647 35.788 26.213 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.688 35.318 28.221 1.00 0.00 N ATOM 0 H ARG A 42 52.830 42.500 23.712 1.00 0.00 H new ATOM 0 HA ARG A 42 51.174 40.046 23.626 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.426 39.756 24.558 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.107 41.022 25.727 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.182 39.714 26.626 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.485 38.451 25.449 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.815 38.192 26.420 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.379 39.347 27.664 1.00 0.00 H new ATOM 0 HE ARG A 42 52.026 37.759 28.708 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.070 36.435 25.547 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.530 34.805 25.966 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.352 35.593 29.144 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.599 34.349 27.914 1.00 0.00 H new ATOM 680 N LEU A 43 49.263 41.178 24.679 1.00 0.00 N ATOM 681 CA LEU A 43 48.071 41.873 25.123 1.00 0.00 C ATOM 682 C LEU A 43 47.489 41.227 26.382 1.00 0.00 C ATOM 683 O LEU A 43 47.087 40.066 26.353 1.00 0.00 O ATOM 684 CB LEU A 43 47.067 41.947 23.975 1.00 0.00 C ATOM 685 CG LEU A 43 47.536 42.784 22.788 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.525 42.677 21.650 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.690 44.263 23.130 1.00 0.00 C ATOM 0 H LEU A 43 49.063 40.306 24.189 1.00 0.00 H new ATOM 0 HA LEU A 43 48.329 42.894 25.405 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.851 40.936 23.630 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.132 42.362 24.351 1.00 0.00 H new ATOM 0 HG LEU A 43 48.511 42.390 22.501 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.864 43.276 20.805 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.432 41.635 21.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.556 43.043 21.989 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.026 44.807 22.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.731 44.662 23.460 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.424 44.377 23.928 1.00 0.00 H new ATOM 699 N ILE A 44 47.456 41.986 27.474 1.00 0.00 N ATOM 700 CA ILE A 44 47.005 41.563 28.783 1.00 0.00 C ATOM 701 C ILE A 44 45.721 42.288 29.191 1.00 0.00 C ATOM 702 O ILE A 44 45.579 43.493 28.997 1.00 0.00 O ATOM 703 CB ILE A 44 48.112 41.730 29.821 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.430 41.056 29.455 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.657 41.278 31.206 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.378 39.544 29.259 1.00 0.00 C ATOM 0 H ILE A 44 47.760 42.960 27.462 1.00 0.00 H new ATOM 0 HA ILE A 44 46.766 40.501 28.732 1.00 0.00 H new ATOM 0 HB ILE A 44 48.313 42.801 29.837 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.803 41.509 28.536 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.157 41.276 30.237 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.471 41.412 31.918 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.799 41.873 31.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.375 40.226 31.171 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.371 39.176 29.002 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.042 39.069 30.181 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.683 39.305 28.454 1.00 0.00 H new ATOM 718 N PHE A 45 44.786 41.550 29.782 1.00 0.00 N ATOM 719 CA PHE A 45 43.611 42.058 30.460 1.00 0.00 C ATOM 720 C PHE A 45 43.231 41.113 31.601 1.00 0.00 C ATOM 721 O PHE A 45 43.315 39.899 31.434 1.00 0.00 O ATOM 722 CB PHE A 45 42.465 42.195 29.461 1.00 0.00 C ATOM 723 CG PHE A 45 41.179 42.722 30.049 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.941 44.102 30.095 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.234 41.836 30.578 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.758 44.593 30.659 1.00 0.00 C ATOM 727 CE2 PHE A 45 39.066 42.329 31.173 1.00 0.00 C ATOM 728 CZ PHE A 45 38.821 43.707 31.204 1.00 0.00 C ATOM 0 H PHE A 45 44.835 40.531 29.798 1.00 0.00 H new ATOM 0 HA PHE A 45 43.821 43.041 30.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.780 42.859 28.656 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.272 41.220 29.014 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.672 44.788 29.694 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.406 40.771 30.527 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.568 45.656 30.674 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.353 41.645 31.609 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.912 44.086 31.647 1.00 0.00 H new ATOM 738 N ALA A 46 42.811 41.639 32.749 1.00 0.00 N ATOM 739 CA ALA A 46 42.531 40.887 33.957 1.00 0.00 C ATOM 740 C ALA A 46 43.626 39.886 34.330 1.00 0.00 C ATOM 741 O ALA A 46 43.339 38.761 34.733 1.00 0.00 O ATOM 742 CB ALA A 46 41.125 40.302 33.876 1.00 0.00 C ATOM 0 H ALA A 46 42.652 42.640 32.862 1.00 0.00 H new ATOM 0 HA ALA A 46 42.548 41.572 34.804 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.913 39.736 34.783 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.400 41.110 33.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.055 39.641 33.012 1.00 0.00 H new ATOM 748 N GLY A 47 44.889 40.256 34.141 1.00 0.00 N ATOM 749 CA GLY A 47 46.034 39.411 34.413 1.00 0.00 C ATOM 750 C GLY A 47 46.187 38.188 33.505 1.00 0.00 C ATOM 751 O GLY A 47 46.927 37.275 33.862 1.00 0.00 O ATOM 0 H GLY A 47 45.145 41.177 33.785 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.937 40.016 34.331 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.972 39.068 35.446 1.00 0.00 H new ATOM 755 N LYS A 48 45.496 38.128 32.371 1.00 0.00 N ATOM 756 CA LYS A 48 45.504 37.033 31.420 1.00 0.00 C ATOM 757 C LYS A 48 45.779 37.536 30.001 1.00 0.00 C ATOM 758 O LYS A 48 45.444 38.672 29.670 1.00 0.00 O ATOM 759 CB LYS A 48 44.160 36.314 31.464 1.00 0.00 C ATOM 760 CG LYS A 48 43.788 35.646 32.784 1.00 0.00 C ATOM 761 CD LYS A 48 44.682 34.460 33.139 1.00 0.00 C ATOM 762 CE LYS A 48 44.145 33.680 34.335 1.00 0.00 C ATOM 763 NZ LYS A 48 44.284 34.406 35.606 1.00 0.00 N ATOM 0 H LYS A 48 44.882 38.888 32.079 1.00 0.00 H new ATOM 0 HA LYS A 48 46.302 36.342 31.694 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.380 37.033 31.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.154 35.553 30.683 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.843 36.384 33.584 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.753 35.308 32.732 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.762 33.796 32.279 1.00 0.00 H new ATOM 0 HD3 LYS A 48 45.688 34.817 33.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.093 33.450 34.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.672 32.729 34.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.902 33.826 36.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 45.289 34.604 35.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.759 35.302 35.553 1.00 0.00 H new ATOM 777 N GLN A 49 46.361 36.692 29.153 1.00 0.00 N ATOM 778 CA GLN A 49 46.633 37.016 27.767 1.00 0.00 C ATOM 779 C GLN A 49 45.366 36.974 26.911 1.00 0.00 C ATOM 780 O GLN A 49 44.597 36.018 26.990 1.00 0.00 O ATOM 781 CB GLN A 49 47.724 36.097 27.225 1.00 0.00 C ATOM 782 CG GLN A 49 48.245 36.526 25.856 1.00 0.00 C ATOM 783 CD GLN A 49 49.353 35.623 25.312 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.614 34.518 25.784 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.059 36.070 24.276 1.00 0.00 N ATOM 0 H GLN A 49 46.658 35.753 29.419 1.00 0.00 H new ATOM 0 HA GLN A 49 46.995 38.043 27.717 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.554 36.073 27.931 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.334 35.081 27.156 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.416 36.537 25.148 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.620 37.547 25.923 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.853 36.985 23.875 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.806 35.498 23.883 1.00 0.00 H new ATOM 794 N LEU A 50 45.151 37.985 26.075 1.00 0.00 N ATOM 795 CA LEU A 50 44.084 38.036 25.097 1.00 0.00 C ATOM 796 C LEU A 50 44.503 37.334 23.804 1.00 0.00 C ATOM 797 O LEU A 50 45.578 37.606 23.276 1.00 0.00 O ATOM 798 CB LEU A 50 43.699 39.490 24.842 1.00 0.00 C ATOM 799 CG LEU A 50 43.059 40.228 26.013 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.848 41.693 25.646 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.695 39.646 26.375 1.00 0.00 C ATOM 0 H LEU A 50 45.739 38.818 26.064 1.00 0.00 H new ATOM 0 HA LEU A 50 43.212 37.508 25.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.594 40.034 24.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.009 39.520 23.999 1.00 0.00 H new ATOM 0 HG LEU A 50 43.733 40.123 26.863 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.391 42.216 26.486 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.809 42.152 25.413 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.194 41.760 24.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.274 40.200 27.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.027 39.723 25.517 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.809 38.598 26.653 1.00 0.00 H new ATOM 813 N GLU A 51 43.671 36.440 23.275 1.00 0.00 N ATOM 814 CA GLU A 51 44.010 35.580 22.160 1.00 0.00 C ATOM 815 C GLU A 51 43.515 36.086 20.803 1.00 0.00 C ATOM 816 O GLU A 51 42.328 36.346 20.619 1.00 0.00 O ATOM 817 CB GLU A 51 43.516 34.161 22.424 1.00 0.00 C ATOM 818 CG GLU A 51 44.271 33.507 23.578 1.00 0.00 C ATOM 819 CD GLU A 51 43.777 32.078 23.817 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.651 31.909 24.332 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.517 31.117 23.515 1.00 0.00 O ATOM 0 H GLU A 51 42.723 36.295 23.622 1.00 0.00 H new ATOM 0 HA GLU A 51 45.098 35.587 22.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.450 34.183 22.652 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.637 33.560 21.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.339 33.495 23.358 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.139 34.098 24.485 1.00 0.00 H new ATOM 828 N ASP A 52 44.433 36.167 19.844 1.00 0.00 N ATOM 829 CA ASP A 52 44.306 36.684 18.497 1.00 0.00 C ATOM 830 C ASP A 52 43.047 36.264 17.735 1.00 0.00 C ATOM 831 O ASP A 52 42.501 37.054 16.969 1.00 0.00 O ATOM 832 CB ASP A 52 45.551 36.264 17.722 1.00 0.00 C ATOM 833 CG ASP A 52 46.841 36.965 18.153 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.026 37.306 19.341 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.750 37.132 17.312 1.00 0.00 O ATOM 0 H ASP A 52 45.382 35.835 20.017 1.00 0.00 H new ATOM 0 HA ASP A 52 44.209 37.766 18.588 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.685 35.188 17.832 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.385 36.458 16.662 1.00 0.00 H new ATOM 840 N GLY A 53 42.558 35.044 17.941 1.00 0.00 N ATOM 841 CA GLY A 53 41.376 34.504 17.301 1.00 0.00 C ATOM 842 C GLY A 53 40.026 34.988 17.833 1.00 0.00 C ATOM 843 O GLY A 53 39.023 34.790 17.149 1.00 0.00 O ATOM 0 H GLY A 53 42.996 34.384 18.584 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.427 34.739 16.238 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.407 33.418 17.389 1.00 0.00 H new ATOM 847 N ARG A 54 39.963 35.580 19.023 1.00 0.00 N ATOM 848 CA ARG A 54 38.739 35.851 19.748 1.00 0.00 C ATOM 849 C ARG A 54 38.256 37.297 19.619 1.00 0.00 C ATOM 850 O ARG A 54 39.030 38.178 19.252 1.00 0.00 O ATOM 851 CB ARG A 54 38.887 35.425 21.206 1.00 0.00 C ATOM 852 CG ARG A 54 39.335 33.978 21.399 1.00 0.00 C ATOM 853 CD ARG A 54 39.178 33.577 22.863 1.00 0.00 C ATOM 854 NE ARG A 54 39.992 32.420 23.238 1.00 0.00 N ATOM 855 CZ ARG A 54 39.573 31.206 23.622 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.309 30.768 23.551 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.457 30.342 24.138 1.00 0.00 N ATOM 0 H ARG A 54 40.796 35.893 19.521 1.00 0.00 H new ATOM 0 HA ARG A 54 37.955 35.252 19.285 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.607 36.083 21.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.932 35.567 21.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.742 33.317 20.766 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.375 33.866 21.092 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.449 34.423 23.495 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.130 33.354 23.061 1.00 0.00 H new ATOM 0 HE ARG A 54 41.003 32.554 23.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.578 31.376 23.181 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.077 29.826 23.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.436 30.611 24.235 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.151 29.415 24.434 1.00 0.00 H new ATOM 871 N THR A 55 36.983 37.552 19.911 1.00 0.00 N ATOM 872 CA THR A 55 36.357 38.856 19.845 1.00 0.00 C ATOM 873 C THR A 55 36.320 39.598 21.182 1.00 0.00 C ATOM 874 O THR A 55 36.380 38.997 22.253 1.00 0.00 O ATOM 875 CB THR A 55 34.959 38.830 19.231 1.00 0.00 C ATOM 876 OG1 THR A 55 34.015 38.255 20.107 1.00 0.00 O ATOM 877 CG2 THR A 55 34.877 38.076 17.907 1.00 0.00 C ATOM 0 H THR A 55 36.339 36.821 20.212 1.00 0.00 H new ATOM 0 HA THR A 55 37.012 39.415 19.177 1.00 0.00 H new ATOM 0 HB THR A 55 34.731 39.880 19.047 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.299 38.900 20.285 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.853 38.103 17.536 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.539 38.545 17.179 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.181 37.040 18.059 1.00 0.00 H new ATOM 885 N LEU A 56 36.197 40.921 21.132 1.00 0.00 N ATOM 886 CA LEU A 56 36.068 41.763 22.305 1.00 0.00 C ATOM 887 C LEU A 56 34.812 41.455 23.123 1.00 0.00 C ATOM 888 O LEU A 56 34.896 41.333 24.343 1.00 0.00 O ATOM 889 CB LEU A 56 36.083 43.228 21.881 1.00 0.00 C ATOM 890 CG LEU A 56 37.399 43.739 21.302 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.242 45.220 20.971 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.569 43.610 22.272 1.00 0.00 C ATOM 0 H LEU A 56 36.185 41.443 20.256 1.00 0.00 H new ATOM 0 HA LEU A 56 36.917 41.553 22.955 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.299 43.380 21.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.827 43.840 22.746 1.00 0.00 H new ATOM 0 HG LEU A 56 37.617 43.132 20.423 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.175 45.601 20.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.442 45.347 20.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.997 45.772 21.879 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.476 43.990 21.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.359 44.186 23.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.709 42.562 22.535 1.00 0.00 H new ATOM 904 N SER A 57 33.665 41.293 22.470 1.00 0.00 N ATOM 905 CA SER A 57 32.424 40.885 23.095 1.00 0.00 C ATOM 906 C SER A 57 32.528 39.520 23.780 1.00 0.00 C ATOM 907 O SER A 57 32.054 39.370 24.904 1.00 0.00 O ATOM 908 CB SER A 57 31.266 40.876 22.102 1.00 0.00 C ATOM 909 OG SER A 57 31.638 40.341 20.851 1.00 0.00 O ATOM 0 H SER A 57 33.577 41.447 21.466 1.00 0.00 H new ATOM 0 HA SER A 57 32.223 41.631 23.864 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.442 40.293 22.513 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.900 41.893 21.965 1.00 0.00 H new ATOM 0 HG SER A 57 32.045 41.044 20.303 1.00 0.00 H new ATOM 915 N ASP A 58 33.202 38.550 23.171 1.00 0.00 N ATOM 916 CA ASP A 58 33.435 37.241 23.748 1.00 0.00 C ATOM 917 C ASP A 58 34.327 37.270 24.990 1.00 0.00 C ATOM 918 O ASP A 58 34.190 36.409 25.857 1.00 0.00 O ATOM 919 CB ASP A 58 34.003 36.362 22.638 1.00 0.00 C ATOM 920 CG ASP A 58 34.294 34.924 23.071 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.360 34.204 23.485 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.446 34.475 22.891 1.00 0.00 O ATOM 0 H ASP A 58 33.608 38.660 22.242 1.00 0.00 H new ATOM 0 HA ASP A 58 32.495 36.832 24.119 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.299 36.345 21.806 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.924 36.812 22.267 1.00 0.00 H new ATOM 927 N TYR A 59 35.172 38.286 25.146 1.00 0.00 N ATOM 928 CA TYR A 59 35.893 38.612 26.359 1.00 0.00 C ATOM 929 C TYR A 59 35.163 39.564 27.308 1.00 0.00 C ATOM 930 O TYR A 59 35.733 39.961 28.321 1.00 0.00 O ATOM 931 CB TYR A 59 37.281 39.135 25.998 1.00 0.00 C ATOM 932 CG TYR A 59 38.320 38.088 25.675 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.696 37.168 26.661 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.984 38.100 24.442 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.729 36.254 26.418 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.052 37.226 24.207 1.00 0.00 C ATOM 937 CZ TYR A 59 40.420 36.286 25.190 1.00 0.00 C ATOM 938 OH TYR A 59 41.428 35.401 24.943 1.00 0.00 O ATOM 0 H TYR A 59 35.378 38.934 24.386 1.00 0.00 H new ATOM 0 HA TYR A 59 35.975 37.685 26.927 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.185 39.800 25.140 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.648 39.738 26.829 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.187 37.163 27.614 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.671 38.786 23.669 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.996 35.526 27.170 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.593 37.272 23.273 1.00 0.00 H new ATOM 0 HH TYR A 59 41.257 34.567 25.428 1.00 0.00 H new ATOM 948 N ASN A 60 33.921 39.954 27.037 1.00 0.00 N ATOM 949 CA ASN A 60 33.170 40.926 27.805 1.00 0.00 C ATOM 950 C ASN A 60 33.866 42.279 27.960 1.00 0.00 C ATOM 951 O ASN A 60 33.766 42.927 28.999 1.00 0.00 O ATOM 952 CB ASN A 60 32.665 40.311 29.108 1.00 0.00 C ATOM 953 CG ASN A 60 31.548 41.109 29.786 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.949 42.029 29.236 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.206 40.761 31.024 1.00 0.00 N ATOM 0 H ASN A 60 33.395 39.584 26.245 1.00 0.00 H new ATOM 0 HA ASN A 60 32.287 41.186 27.221 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.304 39.303 28.905 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.501 40.217 29.801 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.455 41.257 31.504 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.695 39.999 31.493 1.00 0.00 H new ATOM 962 N ILE A 61 34.595 42.718 26.938 1.00 0.00 N ATOM 963 CA ILE A 61 35.200 44.034 26.879 1.00 0.00 C ATOM 964 C ILE A 61 34.139 45.038 26.427 1.00 0.00 C ATOM 965 O ILE A 61 33.308 44.747 25.569 1.00 0.00 O ATOM 966 CB ILE A 61 36.472 44.003 26.036 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.528 43.132 26.710 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.024 45.408 25.811 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.697 42.743 25.811 1.00 0.00 C ATOM 0 H ILE A 61 34.783 42.151 26.111 1.00 0.00 H new ATOM 0 HA ILE A 61 35.538 44.364 27.861 1.00 0.00 H new ATOM 0 HB ILE A 61 36.219 43.578 25.064 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.916 43.662 27.580 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.051 42.223 27.077 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.930 45.351 25.207 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.280 46.013 25.292 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.257 45.866 26.772 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.398 42.125 26.372 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.325 42.182 24.953 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.204 43.643 25.464 1.00 0.00 H new ATOM 981 N GLN A 62 34.137 46.212 27.050 1.00 0.00 N ATOM 982 CA GLN A 62 33.078 47.200 27.007 1.00 0.00 C ATOM 983 C GLN A 62 33.628 48.603 26.742 1.00 0.00 C ATOM 984 O GLN A 62 34.839 48.805 26.774 1.00 0.00 O ATOM 985 CB GLN A 62 32.324 47.154 28.334 1.00 0.00 C ATOM 986 CG GLN A 62 31.566 45.849 28.563 1.00 0.00 C ATOM 987 CD GLN A 62 30.926 45.773 29.950 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.452 46.760 30.509 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.860 44.585 30.545 1.00 0.00 N ATOM 0 H GLN A 62 34.921 46.511 27.630 1.00 0.00 H new ATOM 0 HA GLN A 62 32.402 46.968 26.184 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.032 47.301 29.150 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.619 47.985 28.370 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.791 45.746 27.804 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.250 45.010 28.436 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.251 43.762 30.086 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.418 44.497 31.460 1.00 0.00 H new ATOM 998 N LYS A 63 32.760 49.588 26.530 1.00 0.00 N ATOM 999 CA LYS A 63 33.145 50.972 26.333 1.00 0.00 C ATOM 1000 C LYS A 63 34.034 51.494 27.463 1.00 0.00 C ATOM 1001 O LYS A 63 33.773 51.230 28.634 1.00 0.00 O ATOM 1002 CB LYS A 63 31.906 51.835 26.117 1.00 0.00 C ATOM 1003 CG LYS A 63 31.057 52.075 27.363 1.00 0.00 C ATOM 1004 CD LYS A 63 29.750 52.817 27.098 1.00 0.00 C ATOM 1005 CE LYS A 63 29.839 54.339 27.042 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.529 54.842 25.844 1.00 0.00 N ATOM 0 H LYS A 63 31.752 49.438 26.491 1.00 0.00 H new ATOM 0 HA LYS A 63 33.756 51.030 25.432 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.220 52.800 25.719 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.283 51.364 25.357 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.829 51.114 27.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.644 52.643 28.085 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.341 52.463 26.152 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.037 52.544 27.876 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.832 54.755 27.074 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.360 54.698 27.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.008 55.656 25.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.494 55.136 26.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.573 54.090 25.127 1.00 0.00 H new ATOM 1020 N GLU A 64 35.097 52.218 27.125 1.00 0.00 N ATOM 1021 CA GLU A 64 36.064 52.782 28.045 1.00 0.00 C ATOM 1022 C GLU A 64 36.726 51.778 28.991 1.00 0.00 C ATOM 1023 O GLU A 64 37.063 52.114 30.125 1.00 0.00 O ATOM 1024 CB GLU A 64 35.493 54.015 28.738 1.00 0.00 C ATOM 1025 CG GLU A 64 35.153 55.154 27.780 1.00 0.00 C ATOM 1026 CD GLU A 64 33.661 55.240 27.450 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.265 55.028 26.285 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.863 55.579 28.352 1.00 0.00 O ATOM 0 H GLU A 64 35.313 52.435 26.152 1.00 0.00 H new ATOM 0 HA GLU A 64 36.908 53.110 27.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.594 53.730 29.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.213 54.373 29.474 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.476 56.098 28.219 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.716 55.023 26.856 1.00 0.00 H new ATOM 1035 N SER A 65 36.929 50.542 28.544 1.00 0.00 N ATOM 1036 CA SER A 65 37.738 49.557 29.233 1.00 0.00 C ATOM 1037 C SER A 65 39.234 49.869 29.162 1.00 0.00 C ATOM 1038 O SER A 65 39.718 50.363 28.145 1.00 0.00 O ATOM 1039 CB SER A 65 37.517 48.153 28.679 1.00 0.00 C ATOM 1040 OG SER A 65 36.171 47.751 28.801 1.00 0.00 O ATOM 0 H SER A 65 36.525 50.196 27.674 1.00 0.00 H new ATOM 0 HA SER A 65 37.415 49.600 30.273 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.812 48.125 27.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.157 47.448 29.209 1.00 0.00 H new ATOM 0 HG SER A 65 35.604 48.337 28.257 1.00 0.00 H new ATOM 1046 N THR A 66 39.970 49.512 30.211 1.00 0.00 N ATOM 1047 CA THR A 66 41.415 49.585 30.286 1.00 0.00 C ATOM 1048 C THR A 66 42.059 48.226 30.005 1.00 0.00 C ATOM 1049 O THR A 66 41.746 47.239 30.667 1.00 0.00 O ATOM 1050 CB THR A 66 41.877 50.118 31.640 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.470 51.461 31.779 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.394 50.137 31.808 1.00 0.00 C ATOM 0 H THR A 66 39.551 49.149 31.067 1.00 0.00 H new ATOM 0 HA THR A 66 41.739 50.283 29.514 1.00 0.00 H new ATOM 0 HB THR A 66 41.438 49.447 32.379 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.765 51.804 32.649 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.646 50.528 32.794 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.784 49.124 31.709 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.837 50.773 31.042 1.00 0.00 H new ATOM 1060 N LEU A 67 42.979 48.201 29.044 1.00 0.00 N ATOM 1061 CA LEU A 67 43.805 47.091 28.616 1.00 0.00 C ATOM 1062 C LEU A 67 45.282 47.419 28.845 1.00 0.00 C ATOM 1063 O LEU A 67 45.647 48.589 28.945 1.00 0.00 O ATOM 1064 CB LEU A 67 43.532 46.817 27.140 1.00 0.00 C ATOM 1065 CG LEU A 67 42.363 45.891 26.820 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.997 46.497 27.128 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.390 45.547 25.333 1.00 0.00 C ATOM 0 H LEU A 67 43.178 49.039 28.498 1.00 0.00 H new ATOM 0 HA LEU A 67 43.565 46.200 29.197 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.356 47.771 26.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.434 46.391 26.701 1.00 0.00 H new ATOM 0 HG LEU A 67 42.488 45.013 27.454 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.216 45.781 26.875 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.937 46.739 28.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.861 47.405 26.541 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.557 44.885 25.097 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.304 46.462 24.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.329 45.048 25.092 1.00 0.00 H new ATOM 1079 N HIS A 68 46.158 46.419 28.876 1.00 0.00 N ATOM 1080 CA HIS A 68 47.589 46.582 29.029 1.00 0.00 C ATOM 1081 C HIS A 68 48.374 45.952 27.877 1.00 0.00 C ATOM 1082 O HIS A 68 48.013 44.881 27.391 1.00 0.00 O ATOM 1083 CB HIS A 68 48.036 46.011 30.372 1.00 0.00 C ATOM 1084 CG HIS A 68 47.493 46.737 31.572 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.173 47.719 32.291 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.272 46.528 32.158 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.348 48.101 33.269 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.200 47.406 33.221 1.00 0.00 N ATOM 0 H HIS A 68 45.875 45.443 28.792 1.00 0.00 H new ATOM 0 HA HIS A 68 47.805 47.650 29.004 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.731 44.966 30.427 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.125 46.028 30.415 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.518 45.819 31.850 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.573 48.865 33.999 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.411 47.509 33.859 1.00 0.00 H new ATOM 1096 N LEU A 69 49.460 46.589 27.450 1.00 0.00 N ATOM 1097 CA LEU A 69 50.350 46.121 26.407 1.00 0.00 C ATOM 1098 C LEU A 69 51.767 45.924 26.949 1.00 0.00 C ATOM 1099 O LEU A 69 52.387 46.862 27.444 1.00 0.00 O ATOM 1100 CB LEU A 69 50.297 47.106 25.243 1.00 0.00 C ATOM 1101 CG LEU A 69 51.363 46.949 24.162 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.254 45.630 23.402 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.227 48.080 23.146 1.00 0.00 C ATOM 0 H LEU A 69 49.751 47.484 27.842 1.00 0.00 H new ATOM 0 HA LEU A 69 50.028 45.145 26.045 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.318 47.022 24.770 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.369 48.115 25.648 1.00 0.00 H new ATOM 0 HG LEU A 69 52.326 46.972 24.672 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.039 45.579 22.648 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.365 44.799 24.098 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.280 45.569 22.916 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.988 47.969 22.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.238 48.042 22.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.358 49.038 23.649 1.00 0.00 H new ATOM 1115 N VAL A 70 52.299 44.714 26.797 1.00 0.00 N ATOM 1116 CA VAL A 70 53.671 44.336 27.074 1.00 0.00 C ATOM 1117 C VAL A 70 54.396 44.134 25.742 1.00 0.00 C ATOM 1118 O VAL A 70 53.840 43.535 24.824 1.00 0.00 O ATOM 1119 CB VAL A 70 53.700 43.081 27.941 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.114 42.555 28.172 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.055 43.323 29.302 1.00 0.00 C ATOM 0 H VAL A 70 51.745 43.928 26.456 1.00 0.00 H new ATOM 0 HA VAL A 70 54.183 45.120 27.632 1.00 0.00 H new ATOM 0 HB VAL A 70 53.132 42.335 27.384 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.073 41.662 28.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.571 42.308 27.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.709 43.319 28.672 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.094 42.407 29.891 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.593 44.114 29.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.016 43.621 29.164 1.00 0.00 H new